N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

C23H18FN3O4 — CID 155550888

IUPACN-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O4/c1-30-19-11-6-14(22-26-18-5-3-2-4-17(18)23(29)27-22)12-20(19)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyYXEYTHPUULACFW-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.76
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 155550888) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID155550888
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O4/c1-30-19-11-6-14(22-26-18-5-3-2-4-17(18)23(29)27-22)12-20(19)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyYXEYTHPUULACFW-UHFFFAOYSA-N
XLogP3.76
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
2-[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551916
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
CID 168552534
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155558818

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 155550888) is N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is YXEYTHPUULACFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-30-19-11-6-14(22-26-18-5-3-2-4-17(18)23(29)27-22)12-20(19)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 419.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 155550888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).